N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-3-methylsulfanyl-1-(phenylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: N-[(2R)-1-anilino-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-1-anilino-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-3-(methylthio)-1-(phenylcarbamoyl)propyl]-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)NC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-26-11-10-16(18(23)19-14-7-3-2-4-8-14)20-17(22)13-6-5-9-15(12-13)21(24)25/h2-9,12,16H,10-11H2,1H3,(H,19,23)(H,20,22)/t16-/m1/s1